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CORIACYCLOENIN;5S-3-[(8R,11S,12S)-(15Z)-(8,11-EPOXY-12-HYDROXYTRIACONTA-15-ENYL)]-5-METHYLFURAN-2(5H)-ONE
SpectraBase Compound ID ICaHU69afxx
InChI InChI=1S/C35H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-33(36)34-28-27-32(39-34)25-22-19-17-18-21-24-31-29-30(2)38-35(31)37/h16,20,29-30,32-34,36H,3-15,17-19,21-28H2,1-2H3/b20-16-/t30-,32+,33-,34-/m1/s1
InChIKey RLULTXPVFIKVJD-BVACYYDPSA-N
Mol Weight 546.9 g/mol
Molecular Formula C35H62O4
Exact Mass 546.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQp0atd0Kdi
Name CORIACYCLOENIN;5S-3-[(8R,11S,12S)-(15Z)-(8,11-EPOXY-12-HYDROXYTRIACONTA-15-ENYL)]-5-METHYLFURAN-2(5H)-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H62O4
InChI InChI=1S/C35H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-33(36)34-28-27-32(39-34)25-22-19-17-18-21-24-31-29-30(2)38-35(31)37/h16,20,29-30,32-34,36H,3-15,17-19,21-28H2,1-2H3/b20-16-/t30-,32+,33-,34-/m1/s1
InChIKey RLULTXPVFIKVJD-BVACYYDPSA-N
Literature Reference Author E.L.M.DASILVA,F.ROBLOT,A.CAVE
Literature Reference Citation HETEROCYCLES,45,915(1997)
Literature Reference DOI 10.3987/COM-97-7755
Molecular Weight 546.875 g/mol
Solvent CDCl3
Source File Reference UWCP4784